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850089-99-5 | 1,2,4-Triazine, 6-(4-bromophenyl)-3-(2-pyridinyl)-
CAS No: 850089-99-5 Catalog No: AG0050PA MDL No:
Product Description
Catalog Number:
AG0050PA
Chemical Name:
1,2,4-Triazine, 6-(4-bromophenyl)-3-(2-pyridinyl)-
CAS Number:
850089-99-5
Molecular Formula:
C14H9BrN4
Molecular Weight:
313.1521
IUPAC Name:
6-(4-bromophenyl)-3-pyridin-2-yl-1,2,4-triazine
InChI:
InChI=1S/C14H9BrN4/c15-11-6-4-10(5-7-11)13-9-17-14(19-18-13)12-3-1-2-8-16-12/h1-9H
InChI Key:
QMSDJCRHMGWBDC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1cnc(nn1)c1ccccn1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.001g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.158g/mol
Monoisotopic Mass:
312.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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